
 ABINIT package : GEO file

 Maximal coordination number, as estimated by the user :  4
  giving a maximum of   16 nearest neighbors and next nearest neighbors,
                  and    6 distinct angles between nearest neighbors

 Primitive vectors of the periodic cell (bohr)
   R(1)=  10.26311   0.00000   0.00000
   R(2)=   0.00000  10.26311   0.00000
   R(3)=   0.00000   0.00000  10.26311

 Atom list        Reduced coordinates          Cartesian coordinates (bohr)
   Si(1)      0.00039   0.00000   0.00000       0.00403   0.00000   0.00000
   Si(2)      0.25000   0.25000   0.25000       2.56578   2.56578   2.56578
   Si(3)      0.00000   0.50000   0.50000       0.00000   5.13156   5.13156
   Si(4)      0.25000   0.75000   0.75000       2.56578   7.69733   7.69733
   Si(5)      0.50000   0.00000   0.50000       5.13156   0.00000   5.13156
   Si(6)      0.75000   0.25000   0.75000       7.69733   2.56578   7.69733
   Si(7)      0.50000   0.50000   0.00000       5.13156   5.13156   0.00000
   Si(8)      0.75000   0.75000   0.25000       7.69733   7.69733   2.56578

 XMOL data : natom, followed by cartesian coordinates in Angstrom

   8

   Si   0.00213   0.00000   0.00000
   Si   1.35775   1.35775   1.35775
   Si   0.00000   2.71550   2.71550
   Si   1.35775   4.07325   4.07325
   Si   2.71550   0.00000   2.71550
   Si   4.07325   1.35775   4.07325
   Si   2.71550   2.71550   0.00000
   Si   4.07325   4.07325   1.35775

================================================================================
 Si(1)

 Bond lengths
  Si(1) - Si(2) 0 0 0     bond length is    4.44173 bohr  ( or   2.35046 Angst.)
  Si(1) - Si(4) 0-1-1     bond length is    4.44173 bohr  ( or   2.35046 Angst.)
  Si(1) - Si(6)-1 0-1     bond length is    4.44638 bohr  ( or   2.35292 Angst.)
  Si(1) - Si(8)-1-1 0     bond length is    4.44638 bohr  ( or   2.35292 Angst.)
  Si(1) - Si(5) 0 0-1     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(1) - Si(5) 0 0 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(1) - Si(7) 0-1 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(1) - Si(7) 0 0 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(1) - Si(3) 0-1-1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0 0-1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0-1 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(3) 0 0 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(1) - Si(5)-1 0-1     bond length is    7.25996 bohr  ( or   3.84181 Angst.)
  Si(1) - Si(5)-1 0 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)
  Si(1) - Si(7)-1-1 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)
  Si(1) - Si(7)-1 0 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(1) - Si(4) 0-1-1        bond angle is     109.55601 degrees
  Si(2) 0 0 0 - Si(1) - Si(6)-1 0-1        bond angle is     109.47117 degrees
  Si(2) 0 0 0 - Si(1) - Si(8)-1-1 0        bond angle is     109.47117 degrees
  Si(4) 0-1-1 - Si(1) - Si(6)-1 0-1        bond angle is     109.47117 degrees
  Si(4) 0-1-1 - Si(1) - Si(8)-1-1 0        bond angle is     109.47117 degrees
  Si(6)-1 0-1 - Si(1) - Si(8)-1-1 0        bond angle is     109.38652 degrees

================================================================================
 Si(2)

 Bond lengths
  Si(2) - Si(1) 0 0 0     bond length is    4.44173 bohr  ( or   2.35046 Angst.)
  Si(2) - Si(3) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(5) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(7) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(2) - Si(4) 0-1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6)-1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8)-1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(2) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(1) 0 0 0 - Si(2) - Si(3) 0 0 0        bond angle is     109.51361 degrees
  Si(1) 0 0 0 - Si(2) - Si(5) 0 0 0        bond angle is     109.45002 degrees
  Si(1) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.45002 degrees
  Si(3) 0 0 0 - Si(2) - Si(5) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(5) 0 0 0 - Si(2) - Si(7) 0 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(3)

 Bond lengths
  Si(3) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(4) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(6)-1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(8)-1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(3) - Si(5)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5)-1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(5) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7)-1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(7) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 0 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 1 0     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 0 1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)
  Si(3) - Si(1) 0 1 1     bond length is    7.25712 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(3) - Si(4) 0 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(3) - Si(6)-1 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0 0 - Si(3) - Si(6)-1 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees
  Si(6)-1 0 0 - Si(3) - Si(8)-1 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(4)

 Bond lengths
  Si(4) - Si(1) 0 1 1     bond length is    4.44173 bohr  ( or   2.35046 Angst.)
  Si(4) - Si(3) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(5) 0 1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(7) 0 0 1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(4) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(2) 0 1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6)-1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(6) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8)-1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8)-1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(4) - Si(8) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(1) 0 1 1 - Si(4) - Si(3) 0 0 0        bond angle is     109.51361 degrees
  Si(1) 0 1 1 - Si(4) - Si(5) 0 1 0        bond angle is     109.45002 degrees
  Si(1) 0 1 1 - Si(4) - Si(7) 0 0 1        bond angle is     109.45002 degrees
  Si(3) 0 0 0 - Si(4) - Si(5) 0 1 0        bond angle is     109.47122 degrees
  Si(3) 0 0 0 - Si(4) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(5) 0 1 0 - Si(4) - Si(7) 0 0 1        bond angle is     109.47122 degrees

================================================================================
 Si(5)

 Bond lengths
  Si(5) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(4) 0-1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(6) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(8) 0-1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(5) - Si(1) 0 0 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(5) - Si(1) 0 0 1     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(5) - Si(3) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(3) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0-1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(7) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(5) - Si(1) 1 0 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)
  Si(5) - Si(1) 1 0 1     bond length is    7.25996 bohr  ( or   3.84181 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(5) - Si(4) 0-1 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(5) - Si(6) 0 0 0        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees
  Si(4) 0-1 0 - Si(5) - Si(6) 0 0 0        bond angle is     109.47122 degrees
  Si(4) 0-1 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees
  Si(6) 0 0 0 - Si(5) - Si(8) 0-1 0        bond angle is     109.47122 degrees

================================================================================
 Si(6)

 Bond lengths
  Si(6) - Si(3) 1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(5) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(7) 0 0 1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(6) - Si(1) 1 0 1     bond length is    4.44638 bohr  ( or   2.35292 Angst.)
  Si(6) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(2) 1 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 1-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(4) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0-1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0-1 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(6) - Si(8) 0 0 1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(3) 1 0 0 - Si(6) - Si(5) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(6) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(6) - Si(1) 1 0 1        bond angle is     109.42887 degrees
  Si(5) 0 0 0 - Si(6) - Si(7) 0 0 1        bond angle is     109.47122 degrees
  Si(5) 0 0 0 - Si(6) - Si(1) 1 0 1        bond angle is     109.49239 degrees
  Si(7) 0 0 1 - Si(6) - Si(1) 1 0 1        bond angle is     109.49239 degrees

================================================================================
 Si(7)

 Bond lengths
  Si(7) - Si(2) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(4) 0 0-1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(6) 0 0-1     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(8) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(7) - Si(1) 0 0 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(7) - Si(1) 0 1 0     bond length is    7.25427 bohr  ( or   3.83879 Angst.)
  Si(7) - Si(3) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(3) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(5) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(7) - Si(1) 1 0 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)
  Si(7) - Si(1) 1 1 0     bond length is    7.25996 bohr  ( or   3.84181 Angst.)

 Bond angles
  Si(2) 0 0 0 - Si(7) - Si(4) 0 0-1        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(7) - Si(6) 0 0-1        bond angle is     109.47122 degrees
  Si(2) 0 0 0 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees
  Si(4) 0 0-1 - Si(7) - Si(6) 0 0-1        bond angle is     109.47122 degrees
  Si(4) 0 0-1 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees
  Si(6) 0 0-1 - Si(7) - Si(8) 0 0 0        bond angle is     109.47122 degrees

================================================================================
 Si(8)

 Bond lengths
  Si(8) - Si(3) 1 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(5) 0 1 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(7) 0 0 0     bond length is    4.44406 bohr  ( or   2.35169 Angst.)
  Si(8) - Si(1) 1 1 0     bond length is    4.44638 bohr  ( or   2.35292 Angst.)
  Si(8) - Si(2) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(2) 1 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 1 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(4) 1 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 0-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 1-1     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 0 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)
  Si(8) - Si(6) 0 1 0     bond length is    7.25711 bohr  ( or   3.84030 Angst.)

 Bond angles
  Si(3) 1 0 0 - Si(8) - Si(5) 0 1 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(8) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(3) 1 0 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.42887 degrees
  Si(5) 0 1 0 - Si(8) - Si(7) 0 0 0        bond angle is     109.47122 degrees
  Si(5) 0 1 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.49239 degrees
  Si(7) 0 0 0 - Si(8) - Si(1) 1 1 0        bond angle is     109.49239 degrees
